Registration Dossier
Registration Dossier
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EC number: 276-594-2 | CAS number: 72361-35-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Log Koc > 5 (based on Molecular Connectivity Index (MCI); KOCWIN v2.00)
Key value for chemical safety assessment
Additional information
As no valid study is available for assessing the adsorption potential of Triisotridecyl benzene-1,2,4-tricarboxylate (CAS No. 72361-35-4), in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 Grouping of substances, a read-across to the structurally related category member 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) was conducted. The read across is justified due to a) the structural similarity of the category members and b) similar physico-chemical properties resulting in a similar environmental fate and ecotoxicity profile. Further justification is given within the endpoint summary 6.1 and within the category justification section 13.
The study was performed with 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) under GLP conditions and according to OECD guideline 121 (Paulus, 2009). No exact log Koc value could be determined, because the chromatogram of the substance showed a retention time, which was higher than the retention time of the reference substance DDT. Therefore, as the retention time of the substance lied outside the range of the method and the range of the reference substances, the log Koc of the substance can be judged as > 5.67.
Additionally, log Koc values were calculated for Triisotridecyl benzene-1,2,4-tricarboxylate (CAS No. 72361-35-4) using KOCWIN Program (v2.00). Based on the molecular connectivity index (MCI) a log Koc value of 11.62 was determined (Hopp, 2011). This model has no universally accepted definition of its model domain, but since the substance is outside the Kow range of the training set, the results should be taken with caution.The definite value may not be fully reliable, but indicate a high adsorption potential of the substance, which is also to be expected based on the high calculated log Kow values (log Kow > 10, KOWWIN v1.68) and the low measured water solubility (< 0.05 mg/L).
Due to the structural and property similarities with the tested category member 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) the results are applicable to read across to Triisotridecyl benzene-1,2,4-tricarboxylate (CAS No. 72361-35-4).
Based on the information above, it can be assumed that the adsorption potential of Triisotridecyl benzene-1,2,4-tricarboxylate (CAS No. 72361-35-4) is high (log Koc > 5).
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